ChemSpider 2D Image | 4-({3-[(4-{2-[4-(beta-D-Glucopyranosyloxy)phenyl]-2-propanyl}phenoxy)methyl]benzyl}oxy)benzenecarboximidamide | C36H40N2O8

4-({3-[(4-{2-[4-(β-D-Glucopyranosyloxy)phenyl]-2-propanyl}phenoxy)methyl]benzyl}oxy)benzenecarboximidamide

  • Molecular FormulaC36H40N2O8
  • Average mass628.711 Da
  • Monoisotopic mass628.278442 Da
  • ChemSpider ID8071098

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-({3-[(4-{2-[4-(β-D-Glucopyranosyloxy)phenyl]-2-propanyl}phenoxy)methyl]benzyl}oxy)benzenecarboximidamide [ACD/IUPAC Name]
4-({3-[(4-{2-[4-(β-D-Glucopyranosyloxy)phényl]-2-propanyl}phénoxy)méthyl]benzyl}oxy)benzènecarboximidamide [French] [ACD/IUPAC Name]
4-({3-[(4-{2-[4-(β-D-Glucopyranosyloxy)phenyl]-2-propanyl}phenoxy)methyl]benzyl}oxy)benzolcarboximidamid [German] [ACD/IUPAC Name]
Benzenecarboximidamide, 4-[[3-[[4-[1-[4-(β-D-glucopyranosyloxy)phenyl]-1-methylethyl]phenoxy]methyl]phenyl]methoxy]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 825.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.7±3.0 kJ/mol
Flash Point: 452.9±37.1 °C
Index of Refraction: 1.619
Molar Refractivity: 168.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 2.53
ACD/KOC (pH 5.5): 18.27
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 2.54
ACD/KOC (pH 7.4): 18.31
Polar Surface Area: 168 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 480.6±7.0 cm3

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